Models for Bonding in ChemistryISBN: 9780470667026
232 pages
September 2010

1 Mathematical Foundations.
1.1 Matrices and Systems of Linear Equations.
1.2 Properties of Eigenvalues and Eigenvectors.
1.3 Variational Approximations.
1.4 The Atomic Units.
1.5 The Electron Distribution in Molecules.
1.6 Exchangeoverlap Densities and The Chemical Bond.
PART 1: SHORTRANGE INTERACTIONS.
2 The Chemical Bond.
2.1 An Elementary Molecular Orbital Model.
2.2 Bond Energies and Pauli Repulsions in Homonuclear Diatomics.
2.3 Multiple Bonds.
2.4 The ThreeCentre Double Bond in Diborane.
2.5 The Heteropolar Bond.
2.6 Stereochemistry of Polyatomic Molecules.
2.7 spHybridization Effects in FirstRow Hydrides.
2.8 Delocalized Bonds.
2.9 Appendices.
3 An Introduction to Bonding in Solids.
3.1 The Linear Polyene Chain.
3.2 The Closed Polyene Chain.
3.3 A Model for the OneDimensional Crystal.
3.4 Electronic Bands in Crystals.
3.5 Insulators, Conductors, Semiconductors, and Superconductors.
3.6 Appendix: The Trigonometric Identity.
PART 2: LONGRANGE INTERACTIONS.
4 The van der Waals Bond.
4.1 Introduction.
4.2 Elements of RayleighSchrödinger (RS) Perturbation Theory.
4.3 Molecular Interactions.
4.4 The TwoState Model of LongRange Interactions.
4.5 The van der Waals Interactions.
4.6 The C_{6} Dispersion Coefficient for the H–H Interaction.
4.7 The van der Waals Bond.
4.8 The Keesom Interaction.
5 The Hydrogen Bond.
5.1 A Molecular Orbital Model of the Hydrogen Bond.
5.2 Electrostatic Interactions and the Hydrogen Bond.
5.3 The Electrostatic Model of The Hydrogen Bond.
5.4 The Rg–HF Heterodimers.
References.
Author Index.
Subject Index.